<!--
作者：wanglicheng
时间：2018-1-9
描述：数据输入-计算QM部分
-->

<%@ page contentType="text/html;charset=UTF-8" language="java" %>
<%@ include file="PageFrame.jsp"%>

<title>计算部分-QM</title>

<!-- menu -->
<header>
    <nav>
        <div class="dropdown menu-header">
            <a href="#"><span>表单</span><i class="fa fa-caret-down fa-fw"></i></a>
            <div class="dropdown-content">
                <a href=""><i class="fa fa-file-text-o fw"></i><span style="margin-left: 20px">新建</span></a>
                <a href="#" onclick="saveQM()"><i class="fa fa-save fw"></i><span style="margin-left: 20px">保存</span></a>
            </div>
        </div>
        <div class="dropdown menu-header">
            <a href="#"><span>文件导入</span><i class="fa fa-caret-down fa-fw"></i></a>
            <div class="dropdown-content">
                <a href="#" data-toggle="modal" data-target="#QM_gaussFiles_modal">高斯文件</a>
                <a href="#" data-toggle="modal" data-target="#QM_gebfFiles_modal">GEBF文件</a>
                <a href="#" data-toggle="modal" data-target="#QM_dmol3Files_modal">Dmol3文件</a>
                <a href="#" data-toggle="modal" data-target="#QM_castepFiles_modal">CASTEP文件</a>
                <a href="#" data-toggle="modal" data-target="#QM_vaspFiles_modal">VASP文件</a>
            </div>
        </div>
        <div class="dropdown menu-header">
            <a href="#"><span>工具栏</span><i class="fa fa-caret-down fa-fw"></i></a>
            <div class="dropdown-content">
            </div>
        </div>
    </nav>
</header>
<!-- /menu -->
<!-- Page Content -->
<div class="container background_form bs-docs-container" id="compute_part_QM"  data-spy="scroll" data-target=".bs-docs-sidebar" data-offset="0">
    <div class="content">
        <form action="data_save_compute_QM" method="post" enctype="multipart/form-data" onkeydown="if(event.keyCode==13){return false;}">
            <div class="row" id="">
                <div class="col-md-9" role="main" id="compute_part_QM_top">
                    <div class="bs-docs-section" id="compute_QM_user_information">
                        <h2 class="page-header">用户基本信息</h2>
                        <div class="form-inline row" id="row1">
                            <div class="form-group col-md-6 col-sm-6 col-xs-6" id="c1">
                                <label for="ID">ID/编号:</label>
                                <input type="text" class="form-control part1" id="ID" value="${id}" readonly>
                            </div>
                            <div class="form-group col-md-6 col-sm-6 col-xs-6" id="c2">
                                <label for="Author">Author/作者:</label>
                                <input type="text" class="form-control part1" id="Author" value="${author}" readonly>
                            </div>
                        </div>
                        <div class="form-inline row" id="row2">
                            <div class="form-group col-md-12 col-sm-12 col-xs-12" id="c1">
                                <label for="Time">Date/日期:</label>
                                <input type="text" class="form-control" id="Time" value="${time}" readonly>
                            </div>
                        </div>
                    </div>
                    <div class="bs-docs-section" id="PBC_model">
                        <h2 class="page-header">PBC模型</h2>
                        <div class="form-inline row" id="row1">
                            <div class="form-group col-md-12 col-sm-12 col-xs-12" id="c1">
                                <label for="PBC">PBC:</label>
                                <select class="form-control part1" style="width: 200px;" id="PBC">
                                    <option>(无)</option>
                                    <option>YES</option>
                                    <option>NO</option>
                                </select>
                            </div>
                        </div>
                        <div class="form-inline row" id="row2">
                            <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c1">
                                <label>晶格参数长度:</label>
                                <input type="text" class="form-control part1" id="Lattice_parameters_length">
                            </div>
                            <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c2">
                                <label>晶格参数角度:</label>
                                <input type="text" class="form-control part1" id="Lattice_parameters_angle">
                            </div>
                            <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c3">
                                <label>空间群:</label>
                                <input type="text" class="form-control part1" id="Space_group">
                            </div>
                        </div>
                    </div>
                    <div class="bs-docs-section" id="Calculation_object">
                        <h2 class="page-header">计算对象</h2>
                        <div class="form-inline row">
                            <div class="form-group col-md-12 col-sm-12 col-xs-12">
                                <label for="CalculationObject_select">计算对象选择:</label>
                                <select class="form-control" style="width: 200px;" id="CalculationObject_select" name="calculateObject">
                                    <option>晶体</option>
                                    <option>Slab模型</option>
                                    <option>溶质溶剂</option>
                                </select>
                            </div>
                        </div>
                        <div id="Crystal">
                            <h3 style="text-align: left;margin-bottom: 20px;padding-left: 20px">晶体</h3>
                            <div class="form-inline row" id="row1">
                                <div class="col-md-4 col-sm-4 col-xs-4" id="c1">
                                    <label>晶系:</label>
                                    <input type="text" class="form-control Crystal" id="Crystal_CrystalSystem">
                                </div>
                                <div class="col-md-4 col-sm-4 col-xs-4" id="c2">
                                    <label>点阵:</label>
                                    <input type="text" class="form-control Crystal" id="Crystal_lattice">
                                </div>
                                <div class="col-md-4 col-sm-4 col-xs-4" id="c3">
                                    <label>格矢:</label>
                                    <input type="text" class="form-control Crystal" id="Crystal_Grid">
                                </div>
                            </div>
                            <div class="form-inline row" id="row2">
                                <div class="col-md-12 col-sm-12 col-xs-12" id="c1">
                                    <div id="Crystal_table"></div>
                                </div>
                            </div>
                            <div class="form-inline row" id="row3">
                                <div class="col-md-3 col-sm-3 col-xs-3" id="c1">
                                    <label>电子数:</label>
                                    <input type="text" class="form-control Crystal" id="Crystal_electronsNum">
                                </div>
                                <div class="col-md-3 col-sm-3 col-xs-3" id="c2">
                                    <label>自旋数(up):</label>
                                    <input type="text" class="form-control Crystal" id="Crystal_upSpinsNum">
                                </div>
                                <div class="col-md-3 col-sm-3 col-xs-3" id="c3">
                                    <label>自旋数(down):</label>
                                    <input type="text" class="form-control Crystal" id="Crystal_downSpinsNum">
                                </div>
                                <div class="col-md-3 col-sm-3 col-xs-3" id="c4">
                                    <label>bandNum:</label>
                                    <input type="text" class="form-control Crystal" id="Crystal_bandsNum">
                                </div>
                            </div>
                            <div class="form-inline row" id="row4">
                                <div class="col-md-6 col-sm-6 col-xs-6" id="c3">
                                    <label>电荷:</label>
                                    <input type="text" class="form-control Crystal" id="Crystal_Charge">
                                </div>
                                <div class="col-md-6 col-sm-6 col-xs-6" id="c4">
                                    <label>多重度:</label>
                                    <input type="text" class="form-control Crystal" id="Crystal_Multiplicity">
                                </div>
                            </div>
                            <div class="form-inline row" id="row5">
                                <div class="col-md-3 col-sm-3 col-xs-3" id="c1">
                                    <label>实验结构:</label>
                                    <input type="text" class="form-control Crystal" id="Crystal_structure">
                                </div>
                                <div class="col-md-3 col-sm-3 col-xs-3" id="c2">
                                    <label>CAS号:</label>
                                    <input type="text" class="form-control Crystal" id="Crystal_CAS">
                                </div>
                                <div class="col-md-3 col-sm-3 col-xs-3" id="c3">
                                    <label>ICSD号:</label>
                                    <input type="text" class="form-control Crystal" id="Crystal_ICSD">
                                </div>
                                <div class="col-md-3 col-sm-3 col-xs-3" id="c4">
                                    <label>晶体图片:</label>
                                    <input type="text" class="form-control Crystal" id="Crystal_Picture">
                                </div>
                            </div>
                        </div>
                        <div id="Slab">
                            <h3 style="text-align: left;margin-bottom: 20px;padding-left: 20px">Slab模型</h3>
                            <div class="form-inline row" id="row1">
                                <div class="col-md-4 col-sm-4 col-xs-4" id="c1">
                                    <label>晶系:</label>
                                    <input type="text" class="form-control Slab" id="Slab_CrystalSystem">
                                </div>
                                <div class="col-md-4 col-sm-4 col-xs-4" id="c2">
                                    <label>点阵:</label>
                                    <input type="text" class="form-control Slab" id="Slab_lattice">
                                </div>
                                <div class="col-md-4 col-sm-4 col-xs-4" id="c3">
                                    <label>格矢:</label>
                                    <input type="text" class="form-control Slab" id="Slab_Grid">
                                </div>
                            </div>
                            <div class="form-inline row" id="row2">
                                <div class="col-md-4 col-sm-4 col-xs-4" id="c1">
                                    <label>晶面:</label>
                                    <input type="text" class="form-control Slab" id="Slab_Planes">
                                </div>
                                <div class="col-md-4 col-sm-4 col-xs-4" id="c2">
                                    <label>真空层高度:</label>
                                    <input type="text" class="form-control Slab" id="Slab_VacuumLayerHeight">
                                </div>
                                <div class="col-md-4 col-sm-4 col-xs-4" id="c3">
                                    <label>厚度:</label>
                                    <input type="text" class="form-control Slab" id="Slab_Thickness">
                                </div>
                            </div>
                            <div class="form-inline row" id="row3">
                                <div class="col-md-12 col-sm-12 col-xs-12" id="c1">
                                    <div id="Slab_table"></div>
                                </div>
                            </div>
                            <div class="form-inline row" id="row4">
                                <div class="col-md-3 col-sm-3 col-xs-3" id="c1">
                                    <label>元素个数:</label>
                                    <input type="text" class="form-control Slab" id="Slab_Number_of_elements">
                                </div>
                                <div class="col-md-3 col-sm-3 col-xs-3" id="c2">
                                    <label>原子总数:</label>
                                    <input type="text" class="form-control Slab" id="Slab_Number_of_atoms">
                                </div>
                                <div class="col-md-3 col-sm-3 col-xs-3" id="c3">
                                    <label>电荷:</label>
                                    <input type="text" class="form-control Slab" id="Slab_Charge">
                                </div>
                                <div class="col-md-3 col-sm-3 col-xs-3" id="c4">
                                    <label>多重度:</label>
                                    <input type="text" class="form-control Slab" id="Slab_Multiplicity">
                                </div>
                            </div>
                            <div class="form-inline row" id="row5">
                                <div class="col-md-3 col-sm-3 col-xs-3" id="c1">
                                    <label>实验结构:</label>
                                    <input type="text" class="form-control Slab" id="Slab_structure">
                                </div>
                                <div class="col-md-3 col-sm-3 col-xs-3" id="c2">
                                    <label>CAS号:</label>
                                    <input type="text" class="form-control Slab" id="Slab_CAS">
                                </div>
                                <div class="col-md-3 col-sm-3 col-xs-3" id="c3">
                                    <label>ICSD号:</label>
                                    <input type="text" class="form-control Slab" id="Slab_ICSD">
                                </div>
                                <div class="col-md-3 col-sm-3 col-xs-3" id="c4">
                                    <label>Slab图片:</label>
                                    <input type="text" class="form-control Slab" id="Slab_Picture">
                                </div>
                            </div>
                        </div>
                        <div id="Solute">
                            <h3 style="text-align: left;margin-bottom: 20px;padding-left: 20px">溶质</h3>
                            <div class="row" id="row1">
                                <div class="col-md-10 col-sm-10 col-xs-10" id="c1">
                                    <table  class="table table-bordered table-hover" id="Solute_components">
                                            <thead>
                                            <tr>
                                                <th>表达式</th>
                                                <th>原子数</th>
                                                <th>电荷数</th>
                                                <th>自旋多重度</th>
                                                <th>CAS NO.</th>
                                            </tr>
                                            </thead>
                                            <tbody>
                                            </tbody>
                                        </table>
                                </div>
                                <div class="col-md-2 col-sm-2 col-xs-2" id="c2">
                                    <a class="btn btn-info" href="#" role="button" data-toggle="modal" data-target="#Solute_modal">手动添加</a>
                                    <a class="btn btn-info" href="#" role="button">删 除</a>
                                </div>
                            </div>
                            <div class="form-inline row" id="row2">
                                <div class="form-group col-md-6 col-sm-6 col-xs-6" id="c1">
                                    <label>分子总数:</label>
                                    <input type="text" class="form-control Solute" id="Solute_number_of_molecules" readonly>
                                </div>
                                <div class="form-group col-md-6 col-sm-6 col-xs-6" id="c2">
                                    <label>原子总数:</label>
                                    <input type="text" class="form-control Solute" id="Solute_number_of_atoms" readonly>
                                </div>
                            </div>
                        </div>
                        <div id="Solvent">
                            <h3 style="text-align: left;margin-bottom: 20px;padding-left: 20px">溶剂</h3>
                            <div class="form-inline row" id="row1">
                                <div class="form-group col-md-6 col-sm-6 col-xs-6" id="c1">
                                    <label>模型:</label>
                                    <input type="text" class="form-control Solvent" id="Solvent_model">
                                </div>
                                <div class="form-group col-md-6 col-sm-6 col-xs-6" id="c2">
                                    <label>水模型:</label>
                                    <input type="text" class="form-control Solvent" id="Solvent_water_model">
                                </div>
                            </div>
                            <div class="row" id="row2">
                                <div class="col-md-10 col-sm-10 col-xs-10" id="c1">
                                    <table id="Solvent_components" class="table table-bordered table-hover">
                                        <thead>
                                        <tr>
                                            <th>表达式</th>
                                            <th>原子数</th>
                                            <th>电荷数</th>
                                            <th>自旋多重度</th>
                                            <th>CAS NO.</th>
                                        </tr>
                                        </thead>
                                        <tbody>
                                        </tbody>
                                    </table>
                                </div>
                                <div class="col-md-2 col-sm-2 col-xs-2" id="c2">
                                    <a class="btn btn-info" href="#" role="button" data-toggle="modal" data-target="#Solvent_modal">手动添加</a>
                                    <a class="btn btn-info" href="#" role="button">删 除</a>
                                </div>
                            </div>
                            <div class="form-inline row" id="row3">
                                <div class="form-group col-md-6 col-sm-6 col-xs-6" id="c1">
                                    <label>分子总数:</label>
                                    <input type="text" class="form-control Solvent" id="Solvent_number_of_molecules" readonly>
                                </div>
                                <div class="form-group col-md-6 col-sm-6 col-xs-6" id="c2">
                                    <label>原子总数:</label>
                                    <input type="text" class="form-control Solvent" id="Solvent_number_of_atoms" readonly>
                                </div>
                            </div>
                        </div>
                        <div id="Statistics">
                            <h3 style="text-align: left;margin-bottom: 20px;padding-left: 20px">统计</h3>
                            <div class="form-inline row" id="row1">
                                <div class="form-group col-md-6 col-sm-6 col-xs-6" id="c1">
                                    <label>浓度值:</label>
                                    <input type="text" class="form-control Statistics" id="Concentration_value">
                                </div>
                                <div class="form-group col-md-6 col-sm-6 col-xs-6" id="c2">
                                    <label>浓度单位:</label>
                                    <input type="text" class="form-control Statistics" id="Concentration_unit">
                                </div>
                            </div>
                        </div>
                    </div>
                    <div class="bs-docs-section" id="Electronic_Structure_Quantum_Mechanics_Calculation">
                        <h2 class="page-header">电子结构量子力学计算</h2>
                        <div id="Single_reference">
                            <h3 style="text-align: left;margin-bottom: 20px;padding-left: 20px">单参考</h3>
                            <div class="form-inline row" id="row1">
                                <div class="form-group col-md-6 col-sm-6 col-xs-6" id="c1">
                                    <label for="Relativistic_effects">相对论效应:</label>
                                    <select class="form-control part3" style="width: 200px;" id="Relativistic_effects">
                                        <option>(无)</option>
                                        <option>YES</option>
                                        <option>NO</option>
                                    </select>
                                </div>
                                <div class="form-group col-md-6 col-sm-6 col-xs-6" id="c2">
                                    <label for="Local_molecular_orbital">局域分子轨道:</label>
                                    <select class="form-control part3" style="width: 200px;" id="Local_molecular_orbital">
                                        <option>(无)</option>
                                        <option>Boys</option>
                                        <option>Ruedenberg</option>
                                        <option>Mezoy</option>
                                        <option>Autogen</option>
                                    </select>
                                </div>
                            </div>
                            <div class="form-inline row" id="row2">
                                <div class="form-group col-md-12 col-sm-12 col-xs-12" id="c1">
                                    <label for="Block_method1">分块方法:</label>
                                    <select class="form-control part3" style="width: 200px;" id="Block_method1">
                                        <option>(无)</option>
                                        <option>GEBF</option>
                                    </select>
                                </div>
                            </div>
                            <div class="form-inline row" id="row3">
                                <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c1">
                                    <label>双中心:</label>
                                    <input type="text" class="form-control part3" id="Double_center">
                                </div>
                                <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c2">
                                    <label>两体:</label>
                                    <input type="text" class="form-control part3" id="Two_body" >
                                </div>
                                <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c3">
                                    <label>三体:</label>
                                    <input type="text" class="form-control part3" id="Three_body">
                                </div>
                            </div>
                            <div class="form-inline row" id="row4">
                                <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c1">
                                    <label for="Cut_off_the_distance">截断距离:</label>
                                    <input type="text" class="form-control part3" id="Cut_off_the_distance">
                                </div>
                                <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c2">
                                    <label for="Charge">电荷:</label>
                                    <select class="form-control part3" style="width: 200px;" id="Charge">
                                        <option>(无)</option>
                                        <option>NPA</option>
                                        <option>Mulliken</option>
                                        <option>ESP</option>
                                        <option>others</option>
                                    </select>
                                </div>
                                <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c3">
                                    <label for="BSSE_correction">BSSE矫正:</label>
                                    <select class="form-control part3" style="width: 200px;" id="BSSE_correction">
                                        <option>(无)</option>
                                        <option>YES</option>
                                        <option>NO</option>
                                    </select>
                                </div>
                            </div>
                            <div class="form-inline row" id="row5">
                                <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c1">
                                    <label for="Block_method2">分块方法:</label>
                                    <select class="form-control part3" style="width: 200px;" id="Block_method2">
                                        <option>(无)</option>
                                        <option>auto</option>
                                        <option>read</option>
                                        <option>link</option>
                                        <option>DNA/RNA</option>
                                        <option>protein</option>
                                        <option>conn</option>
                                    </select>
                                </div>
                                <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c2">
                                    <label for="Maximum_coefficient_of_atoms">原子最大系数:</label>
                                    <input type="text" class="form-control part3" id="Maximum_coefficient_of_atoms">
                                </div>
                                <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c3">
                                    <label for="The_maximum_number_of_basis_functions">最大基函数数目:</label>
                                    <input type="text" class="form-control part3" id="The_maximum_number_of_basis_functions">
                                </div>
                            </div>
                            <div class="form-inline row" id="row6">
                                <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c1">
                                    <label for="Subsystem_calculates_memory">子体系计算内存:</label>
                                    <input type="text" class="form-control part3" id="Subsystem_calculates_memory">
                                </div>
                                <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c2">
                                    <label for="The_total_number_of_sub_system">总子体系数目:</label>
                                    <input type="text" class="form-control part3" id="The_total_number_of_sub_system">
                                </div>
                                <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c3">
                                    <label for="Subsystem_parallel_number">子体系并行数目:</label>
                                    <input type="text" class="form-control part3" id="Subsystem_parallel_number">
                                </div>
                            </div>
                            <div class="form-inline row" id="row7">
                                <div class="form-group col-md-6 col-sm-6 col-xs-6" id="c1">
                                    <label for="The_maximum_number_of_sub_system_blocks">子体系最大块数:</label>
                                    <input type="text" class="form-control part3" id="The_maximum_number_of_sub_system_blocks">
                                </div>
                                <div class="form-group col-md-6 col-sm-6 col-xs-6" id="c2">
                                    <label>分块信息：</label>
                                    <input type="file" class="form-control part3" id="Block_information" name="frg_file">
                                </div>
                            </div>
                        </div>
                        <div id="More_reference">
                            <h3 style="text-align: left;margin-bottom: 20px;padding-left: 20px">多参考</h3>
                            <div class="form-inline row" id="row1">
                                <div class="form-group col-md-12 col-sm-12 col-xs-12" id="c1">
                                    <label for="Calculation_method">计算方法:</label>
                                    <select class="form-control part3" style="width: 200px;" id="Calculation_method">
                                        <option>(无)</option>
                                        <option>VB</option>
                                        <option>GAB</option>
                                        <option>CASSCF</option>
                                        <option>CASCI</option>
                                        <option>CASPT2</option>
                                        <option>NEVPT2</option>
                                        <option>MRCI</option>
                                        <option>MRCC</option>
                                        <option>DMRG-CASCI</option>
                                        <option>DMRG-MRCI</option>
                                        <option>DMRG-CASPT2</option>
                                        <option>DMRG-NEVPT2</option>
                                        <option>DMRG-CASSCF</option>
                                    </select>
                                </div>
                            </div>
                            <div class="form-inline row" id="row2">
                                <div class="col-md-4 col-sm-4 col-xs-4" id="c1">
                                    <div class="form-group">
                                        <label for="Frozen_orbit_number"><span style="color: red;">*</span>冻结轨道数:</label>
                                        <input type="text" class="form-control part3" id="Frozen_orbit_number">
                                    </div>
                                    <div class="form-group">
                                        <label for="Closed_track_number" style="margin-top: 10px;"><span style="color: red;">*</span>闭合轨道数:</label>
                                        <input type="text" class="form-control part3" id="Closed_track_number">
                                    </div>
                                    <div class="form-group">
                                        <label for="Number_of_active_tracks" style="margin-top: 10px;"><span style="color: red;">*</span>活性轨道数:</label>
                                        <input type="text" class="form-control part3" id="Number_of_active_tracks">
                                    </div>
                                    <div class="form-group">
                                        <label for="Number_of_active_electrons" style="margin-top: 10px;"><span style="color: red;">*</span>活性电子数:</label>
                                        <input type="text" class="form-control part3" id="Number_of_active_electrons">
                                    </div>
                                </div>
                                <div class="col-md-5 col-sm-5 col-xs-5" id="c2">
                                    <div class="form-group" style="padding-left: 45px;">
                                        <label for="Number_of_reservations">保留态数目:</label>
                                        <input type="text" class="form-control part3" id="Number_of_reservations">
                                    </div>
                                    <div class="form-group" id="r2">
                                        <label for="Active_track_input" style="margin-top: 10px;">活性轨道输入文件：</label>
                                        <input type="file" class="form-control part3" id="Active_track_input" name="Active_track_file">
                                    </div>
                                </div>
                            </div>
                        </div>
                        <div id="Calculate_base_set">
                            <h3 style="text-align: left;margin-bottom: 20px;padding-left: 20px">计算基组</h3>
                            <div class="form-inline row" id="row1">
                                <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c1">
                                    <label for="Program">程序:</label>
                                    <select class="form-control part3" style="width: 200px;" id="Program">
                                        <option>(无)</option>
                                        <option>Gaussian 09</option>
                                        <option>Gaussian 16</option>
                                        <option>Material studio</option>
                                    </select>
                                </div>
                                <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c2">
                                    <label>子体系程序:</label>
                                    <input type="text" class="form-control part3" id="Sub_system_program">
                                </div>
                                <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c3">
                                    <label>节点:</label>
                                    <input type="text" class="form-control part3" id="node">
                                </div>
                            </div>
                            <div class="form-inline row" id="row2">
                                <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c1">
                                    <label for="Thermal_occupancy_effect">热占位效应:</label>
                                    <input type="text" class="form-control part3" id="Thermal_occupancy_effect">
                                </div>
                                <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c2">
                                    <label for="Truncation_radius">截断半径:</label>
                                    <input type="text" class="form-control part3" id="Truncation_radius">
                                </div>
                                <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c3">
                                    <label for="Kpoints">K点选取:</label>
                                    <input type="text" class="form-control part3" id="Kpoints">
                                </div>
                            </div>
                            <div class="form-inline row" id="row3">
                                <div class="form-group col-md-12 col-sm-12 col-xs-12" id="c4">
                                    <label for="Calculated_level">计算水平:</label>
                                    <select class="form-control part3" style="width: 200px;" id="Calculated_level">
                                        <option>(无)</option>
                                        <option>HF</option>
                                        <option>MPn</option>
                                        <option>CC</option>
                                        <option>DFT</option>
                                        <option>Semi-empirical</option>
                                    </select>
                                </div>
                            </div>
                            <div class="row" id="row4">
                                <div id="Calculate_base_set_table">
                                </div>
                            </div>
                        </div>
                    </div>
                    <div class="bs-docs-section" id="Ground_state_and_excited_state">
                        <h2 class="page-header">基态与激发态</h2>
                        <div id="optimization">
                            <h3 style="text-align: left;margin-bottom: 20px;padding-left: 20px">优化</h3>
                            <div class="form-inline row" id="row1">
                                <div class="form-group col-md-3 col-sm-3 col-xs-3" id="c1">
                                    <label>高斯关键词:</label>
                                    <input type="text" class="form-control part4" id="Gaussian_Keywords">
                                </div>
                                <div class="form-group col-md-3 col-sm-3 col-xs-3" id="c2">
                                    <label>优化方法:</label>
                                    <input type="text" class="form-control part4" id="Optimization_method">
                                </div>
                                <div class="form-group col-md-3 col-sm-3 col-xs-3" id="c3">
                                    <label>优化结构:</label>
                                    <input type="file" class="form-control part4" id="Optimize_the_structure" name="Optimize_file">
                                </div>
                                <div class="form-group col-md-3 col-sm-3 col-xs-3" id="c4">
                                    <label>能量:</label>
                                    <input type="text" class="form-control part4" id="energy">
                                </div>
                            </div>
                            <div class="row" id="row2">
                                <div class="form-inline col-md-4 col-sm-4 col-xs-4" id="c1">
                                    <div class="form-group" style="padding-right: 30px;">
                                        <label>晶格参数:</label>
                                        <input type="text" class="form-control part4" id="optimization_Lattice_parameters">
                                    </div>
                                    <div class="form-group" style="margin-top: 10px">
                                        <label>点群:</label>
                                        <input type="text" class="form-control part4" id="Point_group">
                                    </div>
                                    <div class="form-group" style="margin-top: 10px">
                                        <label>基函:</label>
                                        <input type="text" class="form-control part4" id="Basis">
                                    </div>
                                </div>
                                <div class="col-md-7 col-sm-7 col-xs-7" id="c2">
                                    <div id="optimization_table"></div>
                                </div>
                                <div class="col-md-1 col-sm-1 col-xs-1" id="c3">
                                    <div class="fa fa-plus fa-fw" onclick="add_table_row('optimization_table',7,[50,100,100,100,80,80,80])"></div>
                                    <div class="fa fa-minus fa-fw" onclick="delete_table_row('optimization_table')"></div>
                                </div>
                            </div>
                        </div>
                        <div id="Band">
                            <h3 style="text-align: left;margin-bottom: 20px;padding-left: 20px">能带</h3>
                            <ul class="nav nav-tabs" role="tablist">
                                <li role="presentation" class="active">
                                    <a href="#Fermi_energy" aria-controls="Fermi_energy" role="tab" data-toggle="tab">Fermi</a>
                                </li>
                                <li role="presentation">
                                    <a href="#valence_energy" aria-controls="valence_energy" role="tab" data-toggle="tab">valence</a>
                                </li>
                                <li role="presentation">
                                    <a href="#conduction_energy" aria-controls="conduction_energy" role="tab" data-toggle="tab">conduction</a>
                                </li>
                            </ul>
                            <div class="tab-content" style="height: 200px">
                                <div role="tabpanel" class="tab-pane active" id="Fermi_energy">
                                    <div class="form-inline row" id="row1">
                                        <div class="form-group col-md-6 col-sm-6 col-xs-6" id="c1">
                                            <label>Fermi_energy_ha:</label>
                                            <input type="text" class="form-control part4" id="Fermi_energy_ha">
                                        </div>
                                        <div class="form-group col-md-6 col-sm-6 col-xs-6" id="c2">
                                            <label>Fermi_energy_ev:</label>
                                            <input type="text" class="form-control part4" id="Fermi_energy_ev">
                                        </div>
                                    </div>
                                </div>
                                <div role="tabpanel" class="tab-pane" id="valence_energy">
                                    <div class="form-inline row" id="row1">
                                        <div class="form-group col-md-6 col-sm-6 col-xs-6" id="c1">
                                            <label>valence_energy_ha:</label>
                                            <input type="text" class="form-control part4" id="valence_energy_ha">
                                        </div>
                                        <div class="form-group col-md-6 col-sm-6 col-xs-6" id="c2">
                                            <label>valence_energy_ev:</label>
                                            <input type="text" class="form-control part4" id="valence_energy_ev">
                                        </div>
                                    </div>
                                </div>
                                <div role="tabpanel" class="tab-pane" id="conduction_energy">
                                    <div class="form-inline row" id="row1">
                                        <div class="form-group col-md-6 col-sm-6 col-xs-6" id="c1">
                                            <label>conduction_energy_ha:</label>
                                            <input type="text" class="form-control part4" id="conduction_energy_ha">
                                        </div>
                                        <div class="form-group col-md-6 col-sm-6 col-xs-6" id="c2">
                                            <label>conduction_energy_ev:</label>
                                            <input type="text" class="form-control part4" id="conduction_energy_ev">
                                        </div>
                                    </div>
                                </div>
                            </div>
                        </div>
                        <div id="Frontline_molecular_orbit">
                            <h3 style="text-align: left;margin-bottom: 20px;padding-left: 20px">前线分子轨道</h3>
                            <div class="form-inline row" id="row1">
                                <div class="form-group col-md-3 col-sm-3 col-xs-3" id="c1">
                                    <label>HOMO-1:</label>
                                    <input type="text" class="form-control part4" id="HOMO-1">
                                </div>
                                <div class="form-group col-md-3 col-sm-3 col-xs-3" id="c2">
                                    <label>HOMO:</label>
                                    <input type="text" class="form-control part4" id="HOMO">
                                </div>
                                <div class="form-group col-md-3 col-sm-3 col-xs-3">
                                    <label>LUMO:</label>
                                    <input type="text" class="form-control part4" id="LUMO">
                                </div>
                                <div class="form-group col-md-3 col-sm-3 col-xs-3">
                                    <label>LUMO+1:</label>
                                    <input type="text" class="form-control part4" id="LUMO+1">
                                </div>
                            </div>
                            <div class="form-inline row" id="row2">
                                <div class="form-group col-md-12 col-sm-12 col-xs-12">
                                    <label for="LUM_HOMO">LUMO-HOMO:</label>
                                    <input type="text" class="form-control part4" id="LUM_HOMO">
                                </div>
                            </div>
                        </div>
                        <div id="Extreme_moment">
                            <h3 style="text-align: left;margin-bottom: 20px;padding-left: 20px">多极矩</h3>
                            <ul class="nav nav-tabs" role="tablist">
                                <li role="presentation" class="active">
                                    <a href="#Dipole_moment" aria-controls="Dipole_moment" role="tab" data-toggle="tab">偶极矩</a>
                                </li>
                                <li role="presentation">
                                    <a href="#Quadrupole_moment" aria-controls="Quadrupole_moment" role="tab" data-toggle="tab">四极矩</a>
                                </li>
                                <li role="presentation">
                                    <a href="#Octave_moment" aria-controls="Octave_moment" role="tab" data-toggle="tab">八极矩</a>
                                </li>
                            </ul>
                            <div class="tab-content" style="height: 200px">
                                <div role="tabpanel" class="tab-pane active" id="Dipole_moment">
                                    <div class="form-inline row" id="row1">
                                        <div class="form-group col-md-3 col-sm-3 col-xs-3" id="c1">
                                            <label>X:</label>
                                            <input type="text" class="form-control part4" id="X">
                                        </div>
                                        <div class="form-group col-md-3 col-sm-3 col-xs-3" id="c2">
                                            <label>Y:</label>
                                            <input type="text" class="form-control part4" id="Y">
                                        </div>
                                        <div class="form-group col-md-3 col-sm-3 col-xs-3" id="c3">
                                            <label>Z:</label>
                                            <input type="text" class="form-control part4" id="Z">
                                        </div>
                                        <div class="form-group col-md-3 col-sm-3 col-xs-3" id="c4">
                                            <label>Tot:</label>
                                            <input type="text" class="form-control part4" id="Tot">
                                        </div>
                                    </div>
                                </div>
                                <div role="tabpanel" class="tab-pane" id="Quadrupole_moment">
                                    <div class="form-inline row" id="row1">
                                        <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c1">
                                            <label>XX:</label>
                                            <input type="text" class="form-control part4" id="XX">
                                        </div>
                                        <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c2">
                                            <label>YY:</label>
                                            <input type="text" class="form-control part4" id="YY">
                                        </div>
                                        <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c3">
                                            <label>ZZ:</label>
                                            <input type="text" class="form-control part4" id="ZZ">
                                        </div>
                                    </div>
                                    <div class="form-inline row" id="row2">
                                        <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c1">
                                            <label>XY:</label>
                                            <input type="text" class="form-control part4" id="XY">
                                        </div>
                                        <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c2">
                                            <label>XZ:</label>
                                            <input type="text" class="form-control part4" id="XZ">
                                        </div>
                                        <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c3">
                                            <label>YZ:</label>
                                            <input type="text" class="form-control part4" id="YZ">
                                        </div>
                                    </div>
                                </div>
                                <div role="tabpanel" class="tab-pane" id="Octave_moment">
                                    <div class="form-inline row" id="row1">
                                        <div class="form-group col-md-3 col-sm-3 col-xs-3" id="c1">
                                            <label>XXX:</label>
                                            <input type="text" class="form-control part4" id="XXX">
                                        </div>
                                        <div class="form-group col-md-3 col-sm-3 col-xs-3" id="c2">
                                            <label>YYY:</label>
                                            <input type="text" class="form-control part4" id="YYY">
                                        </div>
                                        <div class="form-group col-md-3 col-sm-3 col-xs-3" id="c3">
                                            <label>ZZZ:</label>
                                            <input type="text" class="form-control part4" id="ZZZ">
                                        </div>
                                        <div class="form-group col-md-3 col-sm-3 col-xs-3" id="c3">
                                            <label>XYY:</label>
                                            <input type="text" class="form-control part4" id="XYY">
                                        </div>
                                    </div>
                                    <div class="form-inline row" id="row2">
                                        <div class="form-group col-md-3 col-sm-3 col-xs-3" id="c1">
                                            <label>XXY:</label>
                                            <input type="text" class="form-control part4" id="XXY">
                                        </div>
                                        <div class="form-group col-md-3 col-sm-3 col-xs-3" id="c2">
                                            <label>XXZ:</label>
                                            <input type="text" class="form-control part4" id="XXZ">
                                        </div>
                                        <div class="form-group col-md-3 col-sm-3 col-xs-3" id="c3">
                                            <label>XZZ:</label>
                                            <input type="text" class="form-control part4" id="XZZ">
                                        </div>
                                        <div class="form-group col-md-3 col-sm-3 col-xs-3" id="c3">
                                            <label>YZZ:</label>
                                            <input type="text" class="form-control part4" id="YZZ">
                                        </div>
                                    </div>
                                    <div class="form-inline row" id="row3">
                                        <div class="form-group col-md-6 col-sm-6 col-xs-6" id="c1">
                                            <label>YYZ:</label>
                                            <input type="text" class="form-control part4" id="YYZ">
                                        </div>
                                        <div class="form-group col-md-6 col-sm-6 col-xs-6" id="c2">
                                            <label>XYZ:</label>
                                            <input type="text" class="form-control part4" id="XYZ">
                                        </div>
                                    </div>
                                </div>
                            </div>
                        </div>
                        <div id="Vertical_Excited_State">
                            <h3 style="text-align: left;margin-bottom: 20px;padding-left: 20px">电子吸收光谱</h3>
                            <div class="row" id="row1">
                                <div id="Vertical_Excited_State_table"></div>
                            </div>
                        </div>
                        <div id="emission_spectrum">
                            <h3 style="text-align: left;margin-bottom: 20px;padding-left: 20px">电子发射光谱</h3>
                            <div class="form-inline row" id="row1">
                                <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c1">
                                    <label>波长:</label>
                                    <input type="text" class="form-control" id="Emission_wavelength">
                                </div>
                                <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c2">
                                    <label>能量:</label>
                                    <input type="text" class="form-control" id="Emission_energy">
                                </div>
                                <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c3">
                                    <label>振子强度:</label>
                                    <input type="text" class="form-control" id="Emission_strength">
                                </div>
                            </div>
                        </div>
                        <div id="other">
                            <h3 style="text-align: left;margin-bottom: 20px;padding-left: 20px">其它</h3>
                            <div class="row" id="row1">
                                <div class="col-md-2 col-sm-2 col-xs-2" id="c1">
                                    <div id="other_table"></div>
                                </div>
                                <div class="col-md-1 col-sm-1 col-xs-1" id="c1_5">
                                    <div class="fa fa-plus fa-fw" onclick="add_table_row('other_table',1,[100])"></div>
                                    <div class="fa fa-minus fa-fw" onclick="delete_table_row('other_table')"></div>
                                </div>
                                <div class="form-inline col-md-3 col-sm-3 col-xs-3" id="c2" style="padding-left: 8px;">
                                    <div class="form-group">
                                        <label>键长:</label>
                                        <input type="text" class="form-control part4" id="Bond_length">
                                    </div>
                                    <div class="form-group" style="margin-top: 10px;padding-right: 25px;">
                                        <label>MP2能量:</label>
                                        <input type="text" class="form-control part4" id="MP2_energy">
                                    </div>
                                    <div class="form-group" style="margin-top: 10px;padding-left: 23px;">
                                        <label>熵:</label>
                                        <input type="text" class="form-control part4" id="entropy">
                                    </div>
                                </div>
                                <div class="form-inline col-md-3 col-sm-3 col-xs-3" id="c3">
                                    <div class="form-group" style="padding-left: 16px;">
                                        <label>键角:</label>
                                        <input type="text" class="form-control part4" id="Bond_angle">
                                    </div>
                                    <div class="form-group" style="margin-top: 10px;padding-right: 20px;">
                                        <label for="CCSD_energy">CCSD能量:</label>
                                        <input type="text" class="form-control part4" id="CCSD_energy">
                                    </div>
                                    <div class="form-group" style="margin-top: 10px;padding-left: 20px;">
                                        <label for="volume">体积:</label>
                                        <input type="text" class="form-control part4" id="volume">
                                    </div>
                                </div>
                                <div class="form-inline col-md-3 col-sm-3 col-xs-3" id="c4">
                                    <div class="form-group" style="padding-left: 12px;">
                                        <label for="HF_energy">HF能量:</label>
                                        <input type="text" class="form-control part4" id="HF_energy">
                                    </div>
                                    <div class="form-group" style="margin-top: 10px">
                                        <label>零点校正:</label>
                                        <input type="text" class="form-control part4" id="Zero_calibration">
                                    </div>
                                    <div class="form-group" style="margin-top: 10px">
                                        <label>可接触面:</label>
                                        <input type="text" class="form-control part4" id="Accessible_surface">
                                    </div>
                                </div>
                            </div>
                            <div class="form-inline row" id="row2">
                                <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c1">
                                    <label>溶剂化模型:</label>
                                    <input type="text" class="form-control part4" id="Solvation_model">
                                </div>
                                <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c2">
                                    <label>溶剂:</label>
                                    <input type="text" class="form-control part4" id="Solvation">
                                </div>
                                <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c3">
                                    <label>自由能:</label>
                                    <input type="text" class="form-control part4" id="Free_Energy">
                                </div>
                            </div>
                            <div class="form-inline row" id="row3">
                                <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c1">
                                    <label>重整能:</label>
                                    <input type="text" class="form-control part4" id="Rebuild_energy">
                                </div>
                                <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c2">
                                    <label>离子势:</label>
                                    <input type="text" class="form-control part4" id="Ion_potential">
                                </div>
                                <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c3">
                                    <label>电子亲和能:</label>
                                    <input type="text" class="form-control part4" id="Electronic_Affinity">
                                </div>
                            </div>
                            <div class="form-inline row" id="row4">
                                <div class="form-group col-md-6 col-sm-6 col-xs-6" id="c1">
                                    <label>酸度系数:</label>
                                    <input type="text" class="form-control part4" id="Acidity_coefficient">
                                </div>
                                <div class="form-group col-md-6 col-sm-6 col-xs-6" id="c2">
                                    <label>油水分配系数:</label>
                                    <input type="text" class="form-control part4" id="Oil_and_water_distribution_coefficient">
                                </div>
                            </div>
                            <div class="form-inline row" id="row5">
                                <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c1">
                                    <label>输出1:</label>
                                    <input type="file" class="form-control part4" id="QM_out1" name="QM_out1_file">
                                </div>
                                <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c2">
                                    <label>输出2:</label>
                                    <input type="file" class="form-control part4" id="QM_out2" name="QM_out2_file">
                                </div>
                                <div class="form-group col-md-4 col-sm-4 col-xs-4" id="c3">
                                    <label>ESP图:</label>
                                    <input type="file" class="form-control part4" id="ESP" name="ESP_file">
                                </div>
                            </div>
                        </div>
                    </div>
                </div>
                <div class="col-md-3 right-bar" role="complementary">
                    <!-- right bar -->
                    <nav class="bs-docs-sidebar hidden-print hidden-xs hidden-sm affix">
                        <ul class="nav bs-docs-sidenav">
                            <li class=""><a href="#compute_QM_user_information" onclick="smoothToElement('compute_QM_user_information')">用户基本信息</a></li>
                            <li class=""><a href="#PBC_model" onclick="smoothToElement('PBC_model')">PBC模型</a></li>
                            <li class="">
                                <a href="#Calculation_object" onclick="smoothToElement('Calculation_object')">计算对象</a>
                                <ul class="nav">
                                    <li class=""><a href="#Crystal" onclick="smoothToElement('Crystal')">晶体</a></li>
                                    <li class=""><a href="#Slab" onclick="smoothToElement('Slab')">Slab模型</a></li>
                                    <li class=""><a href="#Solute" onclick="smoothToElement('Solute')">溶质</a></li>
                                    <li class=""><a href="#Solvent" onclick="smoothToElement('Solvent')">溶剂</a></li>
                                    <li class=""><a href="#Statistics" onclick="smoothToElement('Statistics')">统计</a></li>
                                </ul>
                            </li>
                            <li class="">
                                <a href="#Electronic_Structure_Quantum_Mechanics_Calculation" onclick="smoothToElement('Electronic_Structure_Quantum_Mechanics_Calculation')">电子结构量子力学计算</a>
                                <ul class="nav">
                                    <li class=""><a href="#Single_reference" onclick="smoothToElement('Single_reference')">单参考</a></li>
                                    <li class=""><a href="#More_reference" onclick="smoothToElement('More_reference')">多参考</a></li>
                                    <li class=""><a href="#Calculate_base_set" onclick="smoothToElement('Calculate_base_set')">计算基组</a></li>
                                </ul>
                            </li>
                            <li class="">
                                <a href="#Ground_state_and_excited_state" onclick="smoothToElement('Ground_state_and_excited_state')">基态与激发态</a>
                                <ul class="nav">
                                    <li class=""><a href="#optimization" onclick="smoothToElement('optimization')">优化</a></li>
                                    <li class=""><a href="#Band" onclick="smoothToElement('Band')">能带</a></li>
                                    <li class=""><a href="#Frontline_molecular_orbit" onclick="smoothToElement('Frontline_molecular_orbit')">前线分子轨道</a></li>
                                    <li class=""><a href="#Extreme_moment" onclick="smoothToElement('Extreme_moment')">多极矩</a></li>
                                    <li class=""><a href="#Vertical_Excited_State" onclick="smoothToElement('Vertical_Excited_State')">电子吸收光谱</a></li>
                                    <li class=""><a href="#emission_spectrum" onclick="smoothToElement('emission_spectrum')">电子发射光谱</a></li>
                                    <li class=""><a href="#other" onclick="smoothToElement('other')">其他</a></li>
                                </ul>
                            </li>
                        </ul>
                        <a href="#" onclick="smoothToElement('compute_part_QM_top')">返回顶部</a>
                    </nav>
                    <!-- upload file area-->
                    <div id="Optimize_the_structure_area"><span>优化结构</span></div>
                    <div id="ESP_area"><span>ESP</span></div>
                    <!-- save button-->
                    <input type="hidden" id="QM_USER_AND_PBC" name="part1">
                    <input type="hidden" id="QM_Calculation_object" name="part2">
                    <input type="hidden" id="QM_Electronic_Structure_Quantum_Mechanics_Calculation" name="part3">
                    <input type="hidden" id="QM_Ground_state_excited_state" name="part4">
                    <!-- submit button-->
                    <button type="submit" id="QM_submit" style="display: none"></button>
                </div>
            </div>
        </form>
    </div>
</div>
<!-- /Page Content -->

<!-- modal-->
<%-- Solute--%>
<div class="modal fade" id="Solute_modal" tabindex="-1" role="dialog" aria-labelledby="Solute_modal_title">
    <div class="modal-dialog" role="document" aria-hidden="true">
        <div class="modal-content">
            <div class="modal-header">
                <button type="button" class="close" data-dismiss="modal" aria-label="Close"><span aria-hidden="true">&times;</span></button>
                <h4 class="modal-title" id="Solute_modal_title">溶质</h4>
            </div>
            <div class="modal-body" >
                <div class="row" style="padding-left: 15px;padding-right: 15px">
                    <div class="col-md-10 col-sm-10 col-xs-10" id="Solute_table_t_element">
                        <table class="table table-hover table-striped" id="Solute_t_element">
                            <thead>
                            <tr>
                                <th>元素</th>
                                <th>数目</th>
                            </tr>
                            </thead>
                            <tbody></tbody>
                        </table>
                    </div>
                    <button class="btn btn-info" data-toggle="modal" data-target="#Solute_Elements_added">添 加</button>
                    <button class="btn btn-info">删 除</button>
                </div>
            </div>
            <form>
                <div class="modal-body">
                    <div>
                        <div class="form-inline row" id="row1">
                            <div class="form-group col-md-6 col-sm-6 col-xs-6" id="c1">
                                <label>电荷:</label>
                                <input type="text" class="form-control" id="Solute_Charge">
                            </div>
                            <div class="form-group col-md-6 col-sm-6 col-xs-6" id="c2">
                                <label>自旋多重度:</label>
                                <input type="text" class="form-control" id="Solute_multiplicity">
                            </div>
                        </div>
                        <div class="form-inline row" id="row2">
                            <div class="form-group col-md-6 col-sm-6 col-xs-6" id="c1">
                                <label>结构:</label>
                                <input type="text" class="form-control" id="Solute_structure">
                            </div>
                            <div class="form-group col-md-6 col-sm-6 col-xs-6" id="c2">
                                <label>SMILE 格式:</label>
                                <input type="text" class="form-control" id="Solute_SMILE_format">
                            </div>
                        </div>
                        <div class="form-inline row" id="row3">
                            <div class="form-group col-md-12 col-sm-12 col-xs-12" id="c1">
                                <label>CAS号:</label>
                                <input type="text" class="form-control" id="Solute_CAS">
                            </div>
                        </div>
                    </div>
                </div>
                <div class="modal-footer">
                    <button type="button" class="btn btn-default" data-dismiss="modal">取 消</button>
                    <button type="button" class="btn btn-primary" data-dismiss="modal">确 定</button>
                </div>
            </form>
        </div>
        <!-- /.modal-content -->
    </div>
    <!-- /.modal-dialog -->
</div>
<div class="modal fade" id="Solute_Elements_added" tabindex="-1" role="dialog">
    <div class="modal-dialog" role="document">
        <div class="modal-content">
            <div class="modal-header">
                <button type="button" class="close" data-dismiss="modal" aria-label="Close"><span aria-hidden="true">&times;</span></button>
                <h4 class="modal-title">元素添加</h4>
            </div>
            <form>
                <div class="modal-body" >
                    <div>
                        <div class="form-inline row" id="row1">
                            <div class="form-group col-md-6 col-sm-6 col-xs-6" id="c1">
                                <label>元素:</label>
                                <input type="text" class="form-control" id="element">
                            </div>
                            <div class="form-group col-md-6 col-sm-6 col-xs-6" id="c2">
                                <label>数目:</label>
                                <input type="text" class="form-control" id="element_num">
                            </div>
                        </div>
                    </div>
                </div>
                <div class="modal-footer">
                    <button type="button" class="btn btn-default" data-dismiss="modal">取 消</button>
                    <button type="button" class="btn btn-primary" data-dismiss="modal">确 定</button>
                </div>
            </form>
        </div>
        <!-- /.modal-content -->
    </div>
    <!-- /.modal-dialog -->
</div>
<%-- Solvent--%>
<div class="modal fade" id="Solvent_modal" tabindex="-1" role="dialog" aria-labelledby="Solvent_modal_title">
    <div class="modal-dialog" role="document" aria-hidden="true">
        <div class="modal-content">
            <div class="modal-header">
                <button type="button" class="close" data-dismiss="modal" aria-label="Close"><span aria-hidden="true">&times;</span></button>
                <h4 class="modal-title" id="Solvent_modal_title">溶剂</h4>
            </div>
            <div class="modal-body" >
                <div class="row" style="padding-left: 15px;padding-right: 15px">
                    <div class="col-md-10 col-sm-10 col-xs-10" id="Solvent_table_t_element">
                        <table class="table table-hover table-striped" id="Solvent_t_element">
                            <thead>
                            <tr>
                                <th>元素</th>
                                <th>数目</th>
                            </tr>
                            </thead>
                            <tbody></tbody>
                        </table>
                    </div>
                    <button class="btn btn-info" data-toggle="modal" data-target="#Solvent_Elements_added">添 加</button>
                    <button class="btn btn-info">删 除</button>
                </div>
            </div>
            <form>
                <div class="modal-body">
                    <div>
                        <div class="form-inline row" id="row1">
                            <div class="form-group col-md-6 col-sm-6 col-xs-6" id="c1">
                                <label>电荷:</label>
                                <input type="text" class="form-control" id="Solvent_Charge">
                            </div>
                            <div class="form-group col-md-6 col-sm-6 col-xs-6" id="c2">
                                <label>自旋多重度:</label>
                                <input type="text" class="form-control" id="Solvent_multiplicity">
                            </div>
                        </div>
                        <div class="form-inline row" id="row2">
                            <div class="form-group col-md-6 col-sm-6 col-xs-6" id="c1">
                                <label>结构:</label>
                                <input type="text" class="form-control" id="Solvent_structure">
                            </div>
                            <div class="form-group col-md-6 col-sm-6 col-xs-6" id="c2">
                                <label>SMILE 格式:</label>
                                <input type="text" class="form-control" id="Solvent_SMILE_format">
                            </div>
                        </div>
                        <div class="form-inline row" id="row3">
                            <div class="form-group col-md-12 col-sm-12 col-xs-12" id="c1">
                                <label>CAS号:</label>
                                <input type="text" class="form-control" id="Solvent_CAS">
                            </div>
                        </div>
                    </div>
                </div>
                <div class="modal-footer">
                    <button type="button" class="btn btn-default" data-dismiss="modal">取 消</button>
                    <button type="button" class="btn btn-primary" data-dismiss="modal">确 定</button>
                </div>
            </form>
        </div>
        <!-- /.modal-content -->
    </div>
    <!-- /.modal-dialog -->
</div>
<div class="modal fade" id="Solvent_Elements_added" tabindex="-1" role="dialog">
    <div class="modal-dialog" role="document">
        <div class="modal-content">
            <div class="modal-header">
                <button type="button" class="close" data-dismiss="modal" aria-label="Close"><span aria-hidden="true">&times;</span></button>
                <h4 class="modal-title">元素添加</h4>
            </div>
            <div class="modal-body" >
                <div>
                    <div class="form-inline row" id="row1">
                        <div class="form-group col-md-6 col-sm-6 col-xs-6" id="c1">
                            <label>元素:</label>
                            <input type="text" class="form-control" id="element">
                        </div>
                        <div class="form-group col-md-6 col-sm-6 col-xs-6" id="c2">
                            <label>数目:</label>
                            <input type="text" class="form-control" id="element_num">
                        </div>
                    </div>
                </div>
            </div>
            <div class="modal-footer">
                <button type="button" class="btn btn-default" data-dismiss="modal">取 消</button>
                <button type="button" class="btn btn-primary" data-dismiss="modal">确 定</button>
            </div>
        </div>
        <!-- /.modal-content -->
    </div>
    <!-- /.modal-dialog -->
</div>
<%-- file_load--%>
<%--高斯--%>
<div class="modal fade" id="QM_gaussFiles_modal" tabindex="-1" role="dialog" aria-labelledby="QM_gaussFiles_modal_title">
    <div class="modal-dialog" role="document" aria-hidden="true">
        <div class="modal-content">
            <div class="modal-header">
                <button type="button" class="close" data-dismiss="modal" aria-label="Close"><span aria-hidden="true">&times;</span></button>
                <h4 class="modal-title" id="QM_gaussFiles_modal_title">选择上传文件</h4>
            </div>
            <form id="QM_gaussFiles">
                <div class="modal-body" >
                    <div class="form-inline row" id="row1">
                        <div class="form-group col-md-12 col-sm-12 col-xs-12" id="c1">
                            <label><span style="color: red;">*</span>log文件:</label>
                            <input type="file" class="form-control" required="required" id="gaussFiles_log" name="log_files[]">
                        </div>
                    </div>
                    <div class="form-inline row" id="row2">
                        <div class="form-group col-md-12 col-sm-12 col-xs-12" id="c1">
                            <label style="margin-top: 10px;">dat文件:</label>
                            <input type="file" class="form-control" id="gaussFiles_dat" name="dat_file">
                        </div>
                    </div>
                </div>
                <div class="modal-footer">
                    <button type="button" class="btn btn-default" data-dismiss="modal">取 消</button>
                    <button type="submit" class="btn btn-primary" data-dismiss="modal">确 定</button>
                </div>
            </form>
        </div>
        <!-- /.modal-content -->
    </div>
    <!-- /.modal-dialog -->
</div>
<%--GEBF--%>
<div class="modal fade" id="QM_gebfFiles_modal" tabindex="-1" role="dialog" aria-labelledby="QM_gebfFiles_modal_title">
    <div class="modal-dialog" role="document" aria-hidden="true">
        <div class="modal-content">
            <div class="modal-header">
                <button type="button" class="close" data-dismiss="modal" aria-label="Close"><span aria-hidden="true">&times;</span></button>
                <h4 class="modal-title" id="QM_gebfFiles_modal_title">选择上传文件</h4>
            </div>
            <form id="QM_gebfFiles">
                <div class="modal-body" >
                    <ul class="nav nav-tabs" role="tablist">
                        <li role="presentation" class="active"><a href="#gebfFiles_Group1" aria-controls="gebfFiles_Group1" role="tab" data-toggle="tab">文件组1<div class="del-panel" onclick="delNavTabPart('QM_gebfFiles')">×</div></a></li>
                        <li role="presentation"><a onclick="addNavTabPart('QM_gebfFiles','gebfFiles_Group','文件组')" style="cursor: default">+</a></li>
                    </ul>
                    <div class="tab-content">
                        <div role="tabpanel" class="tab-pane active gebfFfiles_Group" id="gebfFiles_Group1">
                            <div class="row" id="row1">
                                <div class="col-md-12 col-sm-12 col-xs-12" id="c1">
                                    <div class="form-group">
                                        <label for="gebfFiles_keys"><span style="color: red;">*</span>keys文件:</label>
                                        <input type="file" class="form-control" id="gebfFiles_keys" name="keys_file">
                                    </div>
                                </div>
                            </div>
                            <div class="row" id="row2">
                                <div class="col-md-12 col-sm-12 col-xs-12" id="c1">
                                    <div class="form-group">
                                        <label for="gebfFiles_cha" style="margin-top: 10px;"><span style="color: red;">*</span>cha文件:</label>
                                        <input type="file" class="form-control" id="gebfFiles_cha" name="cha_file">
                                    </div>
                                </div>
                            </div>
                            <div class="row" id="row3">
                                <div class="col-md-12 col-sm-12 col-xs-12" id="c1">
                                    <div class="form-group">
                                        <label for="gebfFiles_txt"><span style="color: red;">*</span>txt文件:</label>
                                        <input type="file" class="form-control" id="gebfFiles_txt" name="txt_file">
                                    </div>
                                </div>
                            </div>
                            <div class="row" id="row4">
                                <div class="col-md-12 col-sm-12 col-xs-12" id="c1">
                                    <div class="form-group">
                                        <label for="gebfFiles_log">log文件:</label>
                                        <input type="file" class="form-control" id="gebfFiles_log" name="log_file">
                                    </div>
                                </div>
                            </div>
                            <div class="row" id="row5">
                                <div class="col-md-12 col-sm-12 col-xs-12" id="c1">
                                    <div class="form-group">
                                        <label for="gebfFiles_log"><span style="color: red;">*</span>frg文件:</label>
                                        <input type="file" class="form-control" id="gebfFiles_frg" name="frg_file">
                                    </div>
                                </div>
                            </div>
                        </div>
                    </div>
                </div>
                <div class="modal-footer">
                    <button type="button" class="btn btn-default" data-dismiss="modal">取 消</button>
                    <button type="submit" class="btn btn-primary" data-dismiss="modal">确 定</button>
                </div>
            </form>
        </div>
    </div>
</div>
<%--Dmol3--%>
<div class="modal fade" id="QM_dmol3Files_modal" tabindex="-1" role="dialog" aria-labelledby="QM_dmol3Files_modal_title">
    <div class="modal-dialog" role="document" aria-hidden="true">
        <div class="modal-content">
            <div class="modal-header">
                <button type="button" class="close" data-dismiss="modal" aria-label="Close"><span aria-hidden="true">&times;</span></button>
                <h4 class="modal-title" id="QM_dmol3Files_modal_title">选择上传文件</h4>
            </div>
            <div class="modal-body" >
                <div class="form-inline" id="QM_dmol3Files-opt">
                    <label for="dmol3Files_calculateObject">计算对象:</label>
                    <select class="form-control" style="width: 110px;" id="dmol3Files_calculateObject">
                        <option>晶体</option>
                        <option>Cluster</option>
                        <option>Slab模型</option>
                    </select>
                </div>
                <div id="QM_dmol3Files-table">
                    <div class="table QM_dmol3Files-table-head">
                        <table class="table">
                            <thead>
                            <tr>
                                <th width="10%">序号</th>
                                <th width="20%">cif<input type="file" class="form-control" id="dmol3Files_cif" name="cif_files[]"></th>
                                <th width="20%"><span style="color: red;">*</span>outmol<input type="file" class="form-control" id="dmol3Files_outmol" name="outmol_files[]"></th>
                                <th width="20%">dosOutmol<input type="file" class="form-control" id="dmol3Files_dosOutmol" name="dosOutmol_files[]"></th>
                                <th width="20%">bandOutmol<input type="file" class="form-control" id="dmol3Files_bandStrOutmol" name="bandStrOutmol_files[]"></th>
                                <th width="10%">状态</th>
                            </tr>
                            </thead>
                        </table>
                    </div>
                    <div class="QM_dmol3Files-table-body">
                        <table class="table table-hover">
                            <tbody>
                            </tbody>
                        </table>
                    </div>
                </div>
            </div>
            <div class="modal-footer">
                <button type="button" class="btn btn-default" data-dismiss="modal">取 消</button>
                <button type="submit" class="btn btn-primary">开始上传</button>
            </div>
        </div>
    </div>
</div>
<%--CASTEP--%>
<div class="modal fade" id="QM_castepFiles_modal" tabindex="-1" role="dialog" aria-labelledby="QM_castepFiles_modal_title">
    <div class="modal-dialog" role="document" aria-hidden="true">
        <div class="modal-content">
            <div class="modal-header">
                <button type="button" class="close" data-dismiss="modal" aria-label="Close"><span aria-hidden="true">&times;</span></button>
                <h4 class="modal-title" id="QM_castepFiles_modal_title">选择上传文件</h4>
            </div>
            <form id="QM_castepFiles">
                <div class="modal-body" >
                    <ul class="nav nav-tabs" role="tablist">
                        <li role="presentation" class="active"><a href="#castepFiles_Group1" aria-controls="castepFiles_Group1" role="tab" data-toggle="tab">文件组1<div class="del-panel" onclick="delNavTabPart('QM_castepFiles')">×</div></a></li>
                        <li role="presentation"><a onclick="addNavTabPart('QM_castepFiles','castepFiles_Group','文件组')" style="cursor: default">+</a></li>
                    </ul>
                    <div class="tab-content">
                        <div role="tabpanel" class="tab-pane active castepFiles_Group" id="castepFiles_Group1">
                            <div class="row" id="row1">
                                <div class="col-md-12 col-sm-12 col-xs-12" id="c1">
                                    <div class="form-group">
                                        <label for="castepFiles_cif">cif文件:</label>
                                        <input type="file" class="form-control" id="castepFiles_cif" name="cif_file">
                                    </div>
                                </div>
                            </div>
                            <div class="row" id="row2">
                                <div class="col-md-12 col-sm-12 col-xs-12" id="c1">
                                    <div class="form-group">
                                        <label for="castepFiles_castep"><span style="color: red;">*</span>.castep文件:</label>
                                        <input type="file" class="form-control" id="castepFiles_castep" name="castep_file">
                                    </div>
                                </div>
                            </div>
                            <div class="row" id="row3">
                                <div class="col-md-12 col-sm-12 col-xs-12" id="c1">
                                    <div class="form-group">
                                        <label for="castepFiles_dosCastep">DOS.castep文件:</label>
                                        <input type="file" class="form-control" id="castepFiles_dosCastep" name="dosCastep_file">
                                    </div>
                                </div>
                            </div>
                            <div class="row" id="row4">
                                <div class="col-md-12 col-sm-12 col-xs-12" id="c1">
                                    <div class="form-group">
                                        <label for="castepFiles_bandStrCastep">BandStr.castep文件:</label>
                                        <input type="file" class="form-control" id="castepFiles_bandStrCastep" name="bandStrCastep_file">
                                    </div>
                                </div>
                            </div>
                            <div class="form-inline row" id="row5">
                                <div class="form-group col-md-12 col-sm-12 col-xs-12" id="c1">
                                    <label for="castepFiles_calculateObject">计算对象:</label>
                                    <select class="form-control" style="width: 200px;" id="castepFiles_calculateObject">
                                        <option>晶体</option>
                                        <option>Slab模型</option>
                                    </select>
                                </div>
                            </div>
                        </div>
                    </div>
                </div>
                <div class="modal-footer">
                    <button type="button" class="btn btn-default" data-dismiss="modal">取 消</button>
                    <button type="submit" class="btn btn-primary" data-dismiss="modal">确 定</button>
                </div>
            </form>
        </div>
    </div>
</div>
<%--VASP--%>
<div class="modal fade" id="QM_vaspFiles_modal" tabindex="-1" role="dialog" aria-labelledby="QM_vaspFiles_modal_title">
    <div class="modal-dialog" role="document" aria-hidden="true">
        <div class="modal-content">
            <div class="modal-header">
                <button type="button" class="close" data-dismiss="modal" aria-label="Close"><span aria-hidden="true">&times;</span></button>
                <h4 class="modal-title" id="QM_vaspFiles_modal_title">选择上传文件</h4>
            </div>
            <form id="QM_vaspFiles">
                <div class="modal-body" >
                    <ul class="nav nav-tabs" role="tablist">
                        <li role="presentation" class="active"><a href="#vaspFiles_Group1" aria-controls="vaspFiles_Group1" role="tab" data-toggle="tab">文件组1<div class="del-panel" onclick="delNavTabPart('QM_vaspFiles')">×</div></a></li>
                        <li role="presentation"><a onclick="addNavTabPart('QM_vaspFiles','vaspFiles_Group','文件组')" style="cursor: default">+</a></li>
                    </ul>
                    <div class="tab-content">
                        <div role="tabpanel" class="tab-pane active vaspFiles_Group" id="vaspFiles_Group1">
                            <div class="vaspFiles_input">
                                <span class="vaspFiles_input_span">输入文件</span>
                                <div class="row" id="row1">
                                    <div class="col-md-12 col-sm-12 col-xs-12" id="c1">
                                        <div class="form-group">
                                            <label for="castepFiles_castep">INCAR文件:</label>
                                            <input type="file" class="form-control" id="vaspFiles_INCAR" name="INCAR_file">
                                        </div>
                                    </div>
                                </div>
                                <div class="row" id="row2">
                                    <div class="col-md-12 col-sm-12 col-xs-12" id="c1">
                                        <div class="form-group">
                                            <label for="castepFiles_bandStrCastep">POSCAR文件:</label>
                                            <input type="file" class="form-control" id="vaspFiles_POSCAR" name="POSCAR_file">
                                        </div>
                                    </div>
                                </div>
                                <div class="row" id="row3">
                                    <div class="col-md-12 col-sm-12 col-xs-12" id="c1">
                                        <div class="form-group">
                                            <label for="castepFiles_bandStrCastep">POTCAR文件:</label>
                                            <input type="file" class="form-control" id="vaspFiles_POTCAR" name="POTCAR_file">
                                        </div>
                                    </div>
                                </div>
                                <div class="row" id="row5">
                                    <div class="col-md-12 col-sm-12 col-xs-12" id="c1">
                                        <div class="form-group">
                                            <label for="castepFiles_bandStrCastep">POSCAR.cif文件:</label>
                                            <input type="file" class="form-control" id="vaspFiles_POSCARcif" name="POSCARcif_file">
                                        </div>
                                    </div>
                                </div>
                                <div class="row" id="row4">
                                    <div class="col-md-12 col-sm-12 col-xs-12" id="c1">
                                        <div class="form-group">
                                            <label for="castepFiles_dosCastep">KPOINTS文件:</label>
                                            <input type="file" class="form-control" id="vaspFiles_KPOINTS" name="KPOINTS_file">
                                        </div>
                                    </div>
                                </div>
                            </div>
                            <div class="vaspFiles_output">
                                <span class="vaspFiles_output_span">输出文件</span>
                                <div class="row" id="row6">
                                    <div class="col-md-12 col-sm-12 col-xs-12" id="c1">
                                        <div class="form-group">
                                            <label for="castepFiles_cif"><span style="color: red;">*</span>CONTCAR文件:</label>
                                            <input type="file" class="form-control" id="vaspFiles_CONTCAR" name="CONTCAR_file">
                                        </div>
                                    </div>
                                </div>
                                <div class="row" id="row7">
                                    <div class="col-md-12 col-sm-12 col-xs-12" id="c1">
                                        <div class="form-group">
                                            <label for="castepFiles_bandStrCastep"><span style="color: red;">*</span>OUTCAR文件:</label>
                                            <input type="file" class="form-control" id="vaspFiles_OUTCAR" name="OUTCAR_file">
                                        </div>
                                    </div>
                                </div>
                            </div>
                            <div class="form-inline row" id="row8">
                                <div class="form-group col-md-12 col-sm-12 col-xs-12" id="c1">
                                    <label for="vaspFiles_calculateObject">计算对象:</label>
                                    <select class="form-control" style="width: 200px;" id="vaspFiles_calculateObject">
                                        <option>晶体</option>
                                        <option>Slab模型</option>
                                    </select>
                                </div>
                            </div>
                        </div>
                    </div>
                </div>
                <div class="modal-footer">
                    <button type="button" class="btn btn-default" data-dismiss="modal">取 消</button>
                    <button type="submit" class="btn btn-primary" data-dismiss="modal">确 定</button>
                </div>
            </form>
        </div>
    </div>
</div>
<!-- /.modal -->

<!-- js-->
<%--table operator--%>
<script type="text/javascript">
    function add_table_row(table_id,col_num,wid_arr) {
        var tbody = document.getElementById(table_id).children[0].children[1];
        var tr = document.createElement("tr");
        var row_index = tbody.children.length;

        var td = document.createElement("td");
        td.id = "row-"+row_index;
        td.className = "jexcel_label";
        td.innerHTML = row_index+1;
        tr.appendChild(td);
        for (var i=0;i<col_num;i++){
            td = document.createElement("td");
            td.id = i+"-"+row_index;
//            td.width = wid_arr[i];
            td.align = "center";
            tr.appendChild(td)
        }
        tbody.appendChild(tr);
    }
    function delete_table_row(table_id) {
        var tbody = document.getElementById(table_id).children[0].children[1];
        var row_num = tbody.children.length;
        var tr = tbody.children[row_num-1];
        tbody.removeChild(tr);
    }
    function get_table_content(table_id) {

    }
    function set_table_content(table_id,content) {
        var table = document.getElementById(table_id).children[0];
        var total_rows = content.split("#")[0].split("=").length-1;
        var now_rows = table.children[1].children.length;
        var col_num = table.children[1].children[0].children.length-1;
        for (var i = 0; i < total_rows-now_rows;i++){
            add_table_row(table_id,col_num);
        }
        for (i = 0; i < total_rows;i++){
            for (var j = 0; j<content.split("#").length-1;j++){
                table.children[1].children[i].children[j+1].innerHTML = content.split("#")[j].split("=")[i];
            }
        }
    }
</script>
<%--drop-down list operator--%>
<script type="text/javascript">
    function setSelectedOption(list_id,content) {
        if (!isEmpty(content)){
            var select = document.getElementById(list_id);
            for (var i = 0; i < select.children.length;i++){
                if (content.indexOf(select.options[i].value) != -1){
                    select.options[i].selected = true;
                    break;
                }
            }
        }
    }
</script>
<script src="../js/data-input/data-input-qm.js" type="text/javascript"></script>
<!-- /js-->